Source code for scripts.ising.ordering_kinetics

"""
Ordering kinetics analysis for the 2D Ising model.

Starting from a disordered state, quenches to T < T_c and tracks the growth of
domain size R(t) and the evolution of domain boundaries.
"""
from __future__ import annotations

import argparse
import logging

import numpy as np
from tqdm import tqdm

from models.ising_model import IsingSimulation
from utils.cli_helpers import parse_args_compat
from utils.physics_helpers import compute_kinetics_metrics, power_fit
from utils.system_helpers import (
    _BAR_FORMAT,
    ensure_results_dir,
    plot_ordering_kinetics,
    setup_logging,
)


[docs] def compute_mean_intercept_length(sim: IsingSimulation) -> float: """Estimate domain size using the stereological mean intercept length (MIL).""" if sim.spins is None: return 0.0 spins = sim.spins.astype(np.int8) N = sim.size row_walls = np.sum(spins[:, :-1] * spins[:, 1:] < 0) col_walls = np.sum(spins[:-1, :] * spins[1:, :] < 0) row_wrap = int(np.sum(spins[:, -1] * spins[:, 0] < 0)) col_wrap = int(np.sum(spins[-1, :] * spins[0, :] < 0)) total_walls = int(row_walls) + int(col_walls) + row_wrap + col_wrap mean_walls = total_walls / (2 * N) return float(N) / mean_walls if mean_walls != 0.0 else float(N)
[docs] def main() -> None: """Run the Ising ordering kinetics simulation.""" parser = argparse.ArgumentParser(description='2D Ising Model Ordering Kinetics Analysis') parser.add_argument('--size', type=int, default=256, help='Linear lattice size L') parser.add_argument('--temp', type=float, default=0.1, help='Quench temperature T') parser.add_argument('--max-steps', type=int, default=1000, help='Total MC steps') parser.add_argument('--samples', type=int, default=10, help='Number of measurement points') parser.add_argument('--fit-min', type=int, default=20, help='Min step for power-law fit') parser.add_argument('--output-dir', type=str, default='results/ising', help='Output directory') parser.add_argument('--log-file', type=str, default=None, help='Optional log file path') parser.add_argument('--verbose', action='store_true', help='Enable verbose logging') args = parse_args_compat(parser) # Configure logging log_level = logging.DEBUG if args.verbose else logging.INFO logger = setup_logging(level=log_level, log_file=args.log_file) L = args.size T = args.temp T_CRIT = 2.269 logger.info(f'Ising ordering kinetics analysis (L={L}, T={T:.3f} < T_c={T_CRIT})') step_targets = np.unique(np.logspace(0, np.log10(args.max_steps), num=args.samples).astype(int)) sim = IsingSimulation(size=L, temp=T, update='random') N_data = len(step_targets) t = np.zeros(N_data) R_sk = np.zeros(N_data) R_xi = np.zeros(N_data) R_mil = np.zeros(N_data) current_step = 0 for i, target in enumerate(tqdm(step_targets, bar_format=_BAR_FORMAT, desc='Simulating')): steps_to_run = int(target) - current_step for _ in range(steps_to_run): sim.step() current_step = int(target) metrics = compute_kinetics_metrics(sim=sim) t[i] = float(current_step) R_sk[i] = metrics['R_sk'] R_xi[i] = metrics['xi'] R_mil[i] = compute_mean_intercept_length(sim) logger.debug(f't={current_step}: R_sk={R_sk[i]:.2f}, xi={R_xi[i]:.2f}, MIL={R_mil[i]:.2f}') # Power law fits fit_mask = t >= args.fit_min exponents = {} prefactors = {} for key, data in [('R_sk', R_sk), ('xi', R_xi), ('third', R_mil)]: exp, pre = power_fit(t_arr=t, y_arr=data, mask=fit_mask) exponents[key], prefactors[key] = exp, pre if exp: logger.info(f'{key} exponent: {exp:.3f} (Allen-Cahn: 0.5)') plot_ordering_kinetics( t=t, R_sk=R_sk, R_xi=R_xi, third_metric=R_mil, third_metric_label='Mean Intercept Length $R_{MIL}$', exponents=exponents, prefactors=prefactors, fit_mask=fit_mask, title=f'2D Ising Ordering Kinetics - $T = {T}$ ($< T_c \\approx {T_CRIT}$), $L = {L}$', filename='ordering_kinetics.png', directory=ensure_results_dir(directory=args.output_dir), y_label='Domain Size Scale (lattice units)', left_title='Domain Coarsening', right_title='Boundary Wall Decay', )
if __name__ == '__main__': main()